2-tert-butyl-6-methoxy-N-propylquinolin-4-amine

C17H24N2O — CID 63481474

IUPAC2-tert-butyl-6-methoxy-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2ccc(OC)cc12
InChIInChI=1S/C17H24N2O/c1-6-9-18-15-11-16(17(2,3)4)19-14-8-7-12(20-5)10-13(14)15/h7-8,10-11H,6,9H2,1-5H3,(H,18,19)
InChIKeyBZHVVDHADZJYHY-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.36
Rot. Bonds4

About 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine

2-tert-butyl-6-methoxy-N-propylquinolin-4-amine (PubChem CID 63481474) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-methoxy-N-propylquinolin-4-amine
PubChem CID63481474
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-tert-butyl-6-methoxy-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc2ccc(OC)cc12
InChIInChI=1S/C17H24N2O/c1-6-9-18-15-11-16(17(2,3)4)19-14-8-7-12(20-5)10-13(14)15/h7-8,10-11H,6,9H2,1-5H3,(H,18,19)
InChIKeyBZHVVDHADZJYHY-UHFFFAOYSA-N
XLogP4.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-ethyl-N-propylquinolin-4-amine
CID 63479725
2-tert-butyl-6-methoxyquinolin-4-amine
CID 55045942
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine
CID 82449834
6-bromo-2-tert-butyl-N-ethylquinolin-4-amine
CID 63481640
6-ethoxy-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480542
2-tert-butyl-8-methyl-N-propylquinolin-4-amine
CID 63481487
6-tert-butyl-2-ethyl-N-propylquinolin-4-amine
CID 63480958
2-tert-butyl-7,8-dichloro-N-propylquinolin-4-amine
CID 63479601
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methylquinolin-4-amine
CID 110432981
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
CID 134239209

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine?
The IUPAC name of 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine (CID 63481474) is 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine is CCCNc1cc(C(C)(C)C)nc2ccc(OC)cc12.
What is the InChIKey of 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine?
The InChIKey is BZHVVDHADZJYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-9-18-15-11-16(17(2,3)4)19-14-8-7-12(20-5)10-13(14)15/h7-8,10-11H,6,9H2,1-5H3,(H,18,19).
What are the key properties of 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine?
2-tert-butyl-6-methoxy-N-propylquinolin-4-amine has a molecular weight of 272.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxy-N-propylquinolin-4-amine is sourced from PubChem (CID 63481474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).